3-Iodo-1H-pyrazole

Basic Information

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CAS Number

4522-35-4

Molecular Formula

C3H3IN2

Molecular Weight

193.98 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

68.0 to 72.0 deg-C

Boiling Point

291.9℃ at 760 mmHg

Water Solubility

Insoluble in water.

SMILES

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Ic1cc[nH]n1

InChI

InChI=1S/C3H3IN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)

InChIKey

RUKDVLFJSMVBLV-UHFFFAOYSA-N

LogP

1.0142999999999998

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

48.1

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Light Sensitive

Synonyms & References

English

3-Iodo-1H-pyrazole
3-Iodopyrazole
5-Iodo-1H-pyrazole
C3H3IN2
3(5)-iodopyrazole
3-iodo-1(2)H-pyrazole
3-Iod-pyrazol
iodopyrazole
1H-Pyrazole, 3-iodo-
iodo-pyrazole
5-iodopyrazole
3-Iodo-1H-pyrazole, AldrichCPR
RUKDVLFJSMVBLV-UHFFFAOYSA-N
STL415179
SBB091657
PB15017
SB19879
RP11
3-iodo-1H-pyrazole

MDL Number

MFCD12022324

Customs Code

2933199090

FAQ

What regulatory guidelines apply to 3-Iodo-1H-pyrazole (CAS: 4522-35-4)?

3-Iodo-1H-pyrazole (CAS: 4522-35-4) falls under various regulatory guidelines. It is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a Category 3 skin corrosive. In Europe, it is regulated by REACH (Registration, Evaluation, Authorisation, and Restriction of Chemicals) and is subject to notification if manufactured or imported in quantities over 1 tonne. For the United States, it is under the jurisdiction of the EPA and FDA, requiring specific documentation for handling and disposal.

Are there alternatives to 3-Iodo-1H-pyrazole (CAS: 4522-35-4) in synthesis?

Yes, there are alternatives to 3-Iodo-1H-pyrazole (CAS: 4522-35-4) in synthesis. Common alternatives include 3-bromo-1H-pyrazole and 3-chloro-1H-pyrazole, which can be used in similar reactions due to their structural similarity. Other reagents like 1H-pyrazole-3-thiol and 1H-pyrazole-3-carboxylic acid can also be explored depending on the specific requirements of the synthesis.

What is the market or research trend for 3-Iodo-1H-pyrazole (CAS: 4522-35-4)?

The market for 3-Iodo-1H-pyrazole (CAS: 4522-35-4) is driven by its applications in pharmaceuticals, particularly in the development of antiviral drugs. Research trends indicate a growing interest in its potential as a bioisostere, which can enhance the properties of existing compounds. The market trend shows steady demand, with a focus on improving synthesis methods for larger-scale production and exploring its use in other therapeutic areas.

How should waste containing 3-Iodo-1H-pyrazole (CAS: 4522-35-4) be handled?

Waste containing 3-Iodo-1H-pyrazole (CAS: 4522-35-4) should be handled according to the GHS guidelines for skin corrosives. Collect waste liquids in appropriate containers and ensure they are labeled with hazard warnings. For larger quantities, consider professional waste disposal services. Incineration is a preferred method due to its thorough destruction. Always follow local and national regulations for chemical waste management to ensure environmental protection and safety.